PubChemLite - Uk 25 (C21H34FN5O5)

Structural Information

Molecular Formula

SMILES

CCCC(CCC)C(=O)NCC(=O)NCCCCCCNC(=O)N1C=C(C(=O)NC1=O)F

InChI

InChI=1S/C21H34FN5O5/c1-3-9-15(10-4-2)18(29)25-13-17(28)23-11-7-5-6-8-12-24-20(31)27-14-16(22)19(30)26-21(27)32/h14-15H,3-13H2,1-2H3,(H,23,28)(H,24,31)(H,25,29)(H,26,30,32)

InChIKey

YEASNVKEKVHQLR-UHFFFAOYSA-N

Compound name

5-fluoro-2,4-dioxo-N-[6-[[2-(2-propylpentanoylamino)acetyl]amino]hexyl]pyrimidine-1-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	456.26168	209.5
[M+Na]+	478.24362	211.3
[M-H]-	454.24712	206.8
[M+NH4]+	473.28822	213.9
[M+K]+	494.21756	207.7
[M+H-H2O]+	438.25166	198.4
[M+HCOO]-	500.25260	226.0
[M+CH3COO]-	514.26825	239.6
[M+Na-2H]-	476.22907	205.5
[M]+	455.25385	211.3
[M]-	455.25495	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.26168

209.5

[M+Na]+

478.24362

211.3

[M-H]-

454.24712

206.8

[M+NH4]+

473.28822

213.9

[M+K]+

494.21756

207.7

[M+H-H2O]+

438.25166

198.4

[M+HCOO]-

500.25260

226.0

[M+CH3COO]-

514.26825

239.6

[M+Na-2H]-

476.22907

205.5

[M]+

455.25385

211.3

[M]-

455.25495

211.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Uk 25

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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